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Importance of C-H⋯Donor and C-H⋯Anion Contact Interactions for the Crystal Packing, the Lattice Softness and the Superconducting Transition Temperatures of Organic Conducting Salts

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Organic Superconductivity

Abstract

The organic donor molecule BEDT-TTF (1) and its analogs 2–4 have yielded a number of ambient-pressure superconducting salts. What structural and electronic factors govern the magnitudes of their superconducting transition temperature Tc has been a topic of intense studies.1–4 Examination of the band electronic structures of closely related superconducting salts shows2, 3 that the magnitudes of their Tc’s are primarily determined by the softness of their crystal lattices. The crystal packing and the lattice softness of organic donor salts are strongly influenced by the donor⋯donor and donor⋯anion contact interactions involving the donor-molecule C-H bonds.2, 5, 6 In the present work, we briefly review the electronic structures of some representative organic salt superconductors and discuss the softness of their crystal lattices on the basis of the interaction energies calculated for the C-H⋯donor and C-H⋯anion contact interactions.

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Author information

Authors and Affiliations

  1. Department of Chemistry, North Carolina State University, Raleigh, North Carolina, 27695-8204, USA

    M.-H. Whangbo, J. J. Novoa & D. Jung

  2. Chemistry and Materials Science Divisions, Argonne National Laboratory, Argonne, Illinois, 60439, USA

    J. M. Williams, A. M. Kini, H. H. Wang, U. Geiser, M. A. Beno & K. D. Carlson

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Editors and Affiliations

  1. Lawrence Berkeley Laboratory, University of California, Berkeley, Berkeley, California, USA

    Vladimir Z. Kresin

  2. Stanford University, Stanford, California, USA

    William A. Little

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Whangbo, MH. et al. (1990). Importance of C-H⋯Donor and C-H⋯Anion Contact Interactions for the Crystal Packing, the Lattice Softness and the Superconducting Transition Temperatures of Organic Conducting Salts. In: Kresin, V.Z., Little, W.A. (eds) Organic Superconductivity. Springer, Boston, MA. https://doi.org/10.1007/978-1-4899-2605-0_23

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  • DOI: https://doi.org/10.1007/978-1-4899-2605-0_23

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